2,2,2-Trifluoroethyl (4-((2,4-dichlorophenyl)carbamoyl)benzyl)carbamate CAS 860649-85-0
| CAS No. | 860649-85-0 |
| Molecular Formula | C17H13Cl2F3N2O3 |
| Molecular Weight | 421.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
2,2,2-Trifluoroethyl (4-((2,4-dichlorophenyl)carbamoyl)benzyl)carbamate (CAS 860649-85-0) is a high-purity analytical reference standard with the molecular formula C17H13Cl2F3N2O3 and a molecular weight of 421.20 g/mol.
The molecular framework of 2,2,2-Trifluoroethyl (4-((2,4-dichlorophenyl)carbamoyl)benzyl)carbamate (C17H13Cl2F3N2O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Physical & Chemical Properties
| Molecular Formula | C17H13Cl2F3N2O3 |
| Molecular Weight | 421.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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- Benfuresate (CAS 68505-69-1)
- Boc-N-Me-D-Ile-OH (CAS 267223-87-0)
- 2-Bromo-1-(2,4,6-trihydroxyphenyl)ethanone (CAS 685892-05-1)
- 1-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-ol (CAS 2170373-07-4)
- 4-(2-Hydroxypropan-2-yl)thiazole-2-sulfonamide (CAS 2142576-58-5)
- 3-(p-Tolyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 931937-33-6)
- 2-Cyclopropylisonicotinaldehyde (CAS 1211528-27-6)
- 3-Butyl-2-methylquinazolin-4(3H)-one (CAS 394-90-1)
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